2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine

C6H4BrF2N3O2 — CID 118834924

IUPAC2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(C(F)F)nc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)2(10)1-3(11-5)6(8)9/h1,6H,(H2,10,11)
InChIKeyBRZNVGZOXWNZEY-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

About 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine

2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine (PubChem CID 118834924) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
PubChem CID118834924
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(C(F)F)nc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)2(10)1-3(11-5)6(8)9/h1,6H,(H2,10,11)
InChIKeyBRZNVGZOXWNZEY-UHFFFAOYSA-N
XLogP2.27
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
4-amino-2-bromo-6-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118840544
3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134663698
[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
CID 133104599
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119006327
6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
1-[3-amino-5-(difluoromethyl)-4-nitrophenyl]ethanone
CID 170996747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine (CID 118834924) is 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine is Nc1cc(C(F)F)nc(Br)c1[N+](=O)[O-].
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine?
The InChIKey is BRZNVGZOXWNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)2(10)1-3(11-5)6(8)9/h1,6H,(H2,10,11).
What are the key properties of 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine?
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine has a molecular weight of 268.02 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 118834924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).